potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate

C11H22KNO3 — CID 155707609

IUPACpotassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
SMILESCC(C)(C)CC(=O)N1CCC(O)C1.C[O-].[K+]
InChIInChI=1S/C10H19NO2.CH3O.K/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-2;/h8,12H,4-7H2,1-3H3;1H3;/q;-1;+1
InChIKeyZLIVNFOLYRVLNC-UHFFFAOYSA-N
MW255.40 g/mol
LogP-3.00
Rot. Bonds1

About potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate

potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate (PubChem CID 155707609) has the molecular formula C11H22KNO3 and a molecular weight of 255.40 g/mol. Its IUPAC name is potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate.

Molecular Properties

Compound Namepotassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
PubChem CID155707609
Molecular FormulaC11H22KNO3
Molecular Weight255.40 g/mol
Exact Mass255.12
IUPAC Namepotassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
SMILESCC(C)(C)CC(=O)N1CCC(O)C1.C[O-].[K+]
InChIInChI=1S/C10H19NO2.CH3O.K/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-2;/h8,12H,4-7H2,1-3H3;1H3;/q;-1;+1
InChIKeyZLIVNFOLYRVLNC-UHFFFAOYSA-N
XLogP-3.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 5-3.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate?
The IUPAC name of potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate (CID 155707609) is potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate.
What is the SMILES notation for potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate?
The canonical SMILES for potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate is CC(C)(C)CC(=O)N1CCC(O)C1.C[O-].[K+].
What is the InChIKey of potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate?
The InChIKey is ZLIVNFOLYRVLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.CH3O.K/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-2;/h8,12H,4-7H2,1-3H3;1H3;/q;-1;+1.
What are the key properties of potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate?
potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate has a molecular weight of 255.40 g/mol, XLogP of -3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate is sourced from PubChem (CID 155707609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).